ALPHA-ENDOSULFAN
1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid
Also Known As: ALPHA-ENDOSULFAN|KST-1B9457|NCI60_002082|1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate(1:1)|1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol,4-methy|1-(4-chloro-1-naphthyl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate|1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol,4-methylbenzenesulfonic acid|1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol; 4-methylbenzenesulfonic acid|4-Methylbenzene-1-sulfonic acid--1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethan-1-ol (1/1)
| Molecular Formula | C21H24ClNO4S |
|---|---|
| Molecular Weight | 421.11145 g/mol |
| LogP | 4.32992 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.11145 |
| Monoisotopic Mass | 421.11145 |
| Heavy Atoms | 28 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 959-98-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC(C1=CC=C(C2=CC=CC=C21)Cl)O |
| InChIKey | VAGOADMLDBRNCD-UHFFFAOYSA-N |
Product Overview
ALPHA-ENDOSULFAN (CAS 959-98-8), with molecular formula C21H24ClNO4S and molecular weight 421.11145 g/mol. IUPAC: 1-(4-chloronaphthalen-1-yl)-2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid.
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